Information card for entry 7046274

Structure parameters

• Formula: C45 H73 B3 Mg N2 O6
• Calculated formula: C45 H73 B3 Mg N2 O6
• Title of publication: Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium
• Authors of publication: Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 12.8409 ± 0.0004 Å
• b: 35.1364 ± 0.0008 Å
• c: 11.0846 ± 0.0002 Å
• α: 90°
• β: 105.051 ± 0.003°
• γ: 90°
• Cell volume: 4829.6 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No